SCHEMBL30739587

SCHEMBL30739587

O=C(Nc1ccc(F)cc1F)c1cccc(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.54
KLK7 P49862 1/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30599567 0.87 MAPT (0.71) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30739720 0.87 MAPT (0.59) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30739829 0.85 MAPT (0.60) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1161226 0.85 RAB9A (0.48) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL30739584 0.82 GAA (0.58) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30739737 0.81 NPC1 (0.61) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL7821783 0.81 MAPT (0.74) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4177886 0.81 MAPT (0.68) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15333340 0.81 KDM4E (0.78) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15779461 0.81 MAPT (0.59) MAPTTAS1R3TAS1R1TAS1R2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed